Crystallography Open Database

Information card for entry 4337121

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Structure parameters

Formula	C25 H28 B2 Be2 F2 N12
Calculated formula	C25 H28 B2 Be2 F2 N12
Title of publication	Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.
Authors of publication	Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	1241 - 1249
a	7.9099 ± 0.0003 Å
b	12.7438 ± 0.0006 Å
c	14.6259 ± 0.0007 Å
α	90°
β	104.383 ± 0.002°
γ	90°
Cell volume	1428.11 ± 0.11 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4337121.cif
179474	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/71.	4337121.cif
106172	2014-03-15	cif/ Adding structures of 4337119, 4337120, 4337121, 4337122, 4337123 via cif-deposit CGI script.	4337121.cif